1. Improving the Plasticity of LIMS Implementation: LIMS Extension through Microsoft Excel
Presented by:
Mark Culver
LJT & Associates, Inc.
NASA Goddard Space Flight Center Wallops Flight Facility
8/7/2017
LIMS Extension through Microsoft Excel – M Culver

2. Wallops Flight Facility
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LIMS Extension through Microsoft Excel – M Culver

3. Environmental Laboratory at WFF?
Captive Laboratory
Wastewater, storm water, and drinking water
Commercial Laboratory
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LIMS Extension through Microsoft Excel – M Culver

4. Constituents of a Base LIMS Distribution
Database
SQL Database, Oracle VPD
Content
Tests, Inventory, Equipment, Standards, Reports, Client Information, Invoicing
User Management
Standardization
Customizability
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LIMS Extension through Microsoft Excel – M Culver

5. Customizability ≡ Plasticity
Plasticity – ability to be molded into the desired form
LIMS techniques for achieving plasticity
Templates
Parameters (Text, Select Lists, Checklists, QC)
User Defined Limits (Method, Compliance)
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LIMS Extension through Microsoft Excel – M Culver

6. LIMS Extension through Microsoft Excel – M Culver
Test Template
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LIMS Extension through Microsoft Excel – M Culver

7. TNI Test Record Requirements
2009 TNI V1M f: “All information necessary for the historical reconstruction of data shall be maintained”, which includes
Raw Data (i)
Test Reference (ii)
Sample Identifier (iii)
Analysis Date/Time (iv/v)
Instruments (vi), Standards (xi)
Calculations (vii, xiii)
8/7/2017
LIMS Extension through Microsoft Excel – M Culver

8. TNI Test Record Requirements
2009 TNI V1M f: “All information necessary for the historical reconstruction of data shall be maintained”, which includes
Analysts (viii)/Responsible Supervising Personnel (xix)
Sample Preparation Steps (ix)
Results (x)
Calibrations (xii)
Quality Control (xiv)
Demonstration of Capability (xviii)/Proficiency Testing (xvii)
8/7/2017
LIMS Extension through Microsoft Excel – M Culver

9. Ammonia as N (SM 4500 NH3-D) Data Excerpt
Test Data in Tabular Format
All of these can be recorded in a LIMS in a tabular format.
Ammonia as N (SM 4500 NH3-D) Data Excerpt
Sample ID
Test Template
mV Reading
Temperature
Ammonia as N
Analysis Date/Time
True Value
NH31-MB
QC-NH3 MB
127.2
18.9
.01
03/02/17 09:31
NH31-CAL1
QC-NH3 CAL
22.4
19.2
1.00 1
NH31-CAL2
-4.2
18.2
3.02 3
NH31-CAL3
-32.7
19.4
9.89 10
NH31-CAL4
-61.2
19.8
32.42 32
NH31-CAL5
-88.1
99.40
100
Ammonia
-15.8
19.6
4.89
NH31-LFM
QC-NH3 LFM
-31.8
18.6
9.53
NH31-LFMD
QC-NH3 LFMD
-32.1
18.5
9.65
8/7/2017
LIMS Extension through Microsoft Excel – M Culver

10. Advantages of Tabular Format
Databases
SQL Example
Readability
8/7/2017
LIMS Extension through Microsoft Excel – M Culver

11. Ammonia as N (SM 4500 NH3-D) Data Excerpt
Disadvantages of Tabular Format
Usability
Ammonia as N (SM 4500 NH3-D) Data Excerpt
Sample ID
Test Template
mV Reading
Temperature
Ammonia as N
Analysis Date/Time
True Value
NH31-MB
QC-NH3 MB
127.2
18.9
.01
03/02/17 09:31
NH31-CAL1
QC-NH3 CAL
22.4
19.2
1.00 1
NH31-CAL2
-4.2
18.2
3.02 3
NH31-CAL3
-32.7
19.4
9.89 10
NH31-CAL4
-61.2
19.8
32.42 32
NH31-CAL5
-88.1
99.40
100
Ammonia
-15.8
19.6
4.89
NH31-LFM
QC-NH3 LFM
-31.8
18.6
9.53
NH31-LFMD
QC-NH3 LFMD
-32.1
18.5
9.65
8/7/2017
LIMS Extension through Microsoft Excel – M Culver

12. Disadvantages of Tabular Format
Standard curves
Complicated calculations
𝐵𝑂𝐷= 300 𝑛 𝑘=1 𝑛 𝐷 𝑂 𝑖 𝑘 −𝐷 𝑂 𝑓 𝑘 −𝑖𝑠𝑆𝑒𝑒𝑑𝑒𝑑∗ 𝑠𝑐𝑓 𝑉 𝑘
BOD: Biochemical Oxygen Demand
DO: Dissolved Oxygen
scf: Seed Correction Factor
isSeeded: 0 if sample is unseeded, 1 if sample is seeded
V: Sample Volume added
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LIMS Extension through Microsoft Excel – M Culver

13. Disadvantages of Tabular Format
𝐵𝑂𝐷= 300 𝑛 𝐿 𝑘 | 𝐿 𝑘 =1 𝑘=1 𝑛 𝐿 𝑘 𝐷 𝑂 𝑖 𝑘 −𝐷 𝑂 𝑓 𝑘 −𝑖𝑠𝑆𝑒𝑒𝑑𝑒𝑑∗ 𝑠𝑐𝑓 𝑉 𝑘
𝐿 𝑘 = 𝐷 𝑂 𝑓 𝑘 >1 𝐴𝑁𝐷 𝐷 𝑂 𝑖 𝑘 −𝐷 𝑂 𝑓 𝑘 >2 𝑂𝑅
𝐴𝑙𝑙 𝐷 𝑂 𝑓 𝑘 <1 𝐴𝑁𝐷 𝑘=1 𝑂𝑅
{𝐴𝑙𝑙 𝐷 𝑂 𝑓 𝑘 <1 𝑂𝑅 𝐷 𝑂 𝑖 𝑘 −𝐷 𝑂 𝑓 𝑘 <2 𝐴𝑁𝐷
𝑘=# max [𝑎𝑙𝑙 𝐷 𝑂 𝑖 𝑘 −𝐷 𝑂 𝑓 𝑘 𝑤ℎ𝑒𝑟𝑒 𝐷 𝑂 𝑖 𝑘 −𝐷 𝑂 𝑓 𝑘 <2 ]}
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LIMS Extension through Microsoft Excel – M Culver

14. LIMS Extension through Microsoft Excel – M Culver
Multi-Tabular Format
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LIMS Extension through Microsoft Excel – M Culver

15. LIMS Extension through Microsoft Excel – M Culver
Multi-Tabular Format
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LIMS Extension through Microsoft Excel – M Culver

16. LIMS Extension through Microsoft Excel – M Culver
Multi-Tabular Format
8/7/2017
LIMS Extension through Microsoft Excel – M Culver

17. Multi-Tabular Format Pros and Cons
Advantages
Logic and advanced calculations
Usability
Disadvantages
Databasing
Readability (review)
Cross-compatibility
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LIMS Extension through Microsoft Excel – M Culver

18. Attempts at using Excel with the LIMS
Tabular Format
Make it look like existing bench sheets
Lengthen to line parameters up with the LIMS
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LIMS Extension through Microsoft Excel – M Culver

19. Why use Microsoft Excel?
Widely used and understood
Template design
Math operations
Conditionals
Arrays
String manipulation
Loops*
Embedded programming language
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LIMS Extension through Microsoft Excel – M Culver

20. LIMS with Excel Extensibility – How It Works
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LIMS Extension through Microsoft Excel – M Culver

21. LIMS with Excel Extensibility – BOD
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LIMS Extension through Microsoft Excel – M Culver

22. LIMS with Excel Extensibility – Export
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LIMS Extension through Microsoft Excel – M Culver

23. LIMS with Excel Extensibility – Back Sheet
Input from LIMS
Output to LIMS
=IF(AND(OR(NOT(ISTEXT(C2)),
C2="QCD"),ISTEXT(A2)),
1,IF(ISTEXT(C2),0,""))
=IF(AND(ISTEXT(A2),
ISNUMBER('Day 0'!$L$4)),’
Day 0'!$L$4,"")
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LIMS Extension through Microsoft Excel – M Culver

24. LIMS with Excel Extensibility – User Interface

25. LIMS with Excel Extensibility – Back Sheet
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LIMS Extension through Microsoft Excel – M Culver

26. LIMS with Excel Extensibility – Import
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LIMS Extension through Microsoft Excel – M Culver

27. LIMS Extension through Microsoft Excel – M Culver
Improvements Made
User encapsulation
Hidden “XLIMS Interface” back sheet
Data dumps/calculations
Sort incoming data based on assigned test template
2009 V1M (electronic records)
Password protected workbooks
Redundancy
Named ranges/arrays
Major SOP steps grouped together by tab
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LIMS Extension through Microsoft Excel – M Culver

28. Other ways to use Excel with a LIMS
Custom reports
Internal
External
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LIMS Extension through Microsoft Excel – M Culver

29. Discharge Monitoring Report (DMR)
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30. LIMS Extension through Microsoft Excel – M Culver
eDMR – Back End
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LIMS Extension through Microsoft Excel – M Culver

31. LIMS Extension through Microsoft Excel – M Culver
eDMR – Front End
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LIMS Extension through Microsoft Excel – M Culver

32. LIMS Extension through Microsoft Excel – M Culver
Acknowledgements
LJT & Associates, Inc.
NASA Goddard Space Flight Center Wallops Flight Facility
Wallops Environmental Team and Chemistry Lab
Ethosoft (X-LIMS)
8/7/2017
LIMS Extension through Microsoft Excel – M Culver